SCHEMBL21090689

SCHEMBL21090689

CCC[C@@](C)(CC)n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TK1 P04183 7/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TK2 O00142 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TYMP P19971 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22198654 1.00 TK1 (0.39) TK1MAPK1HPGDTK2ALDH1A1
SCHEMBL26793575 0.94 MAPK1 (0.41) TK1MAPK1HPGDTK2ALDH1A1
SCHEMBL22260407 0.90 MAPK1 (0.42) TK1MAPK1HPGDTK2ALDH1A1
SCHEMBL22380811 0.88 TK1 (0.47) TK1MAPK1TK2ALDH1A1
SCHEMBL22260568 0.88 TK1 (0.43) TK1MAPK1HPGDTK2
SCHEMBL22020961 0.85 TK1 (0.47) TK1MAPK1TK2ALDH1A1
SCHEMBL22020875 0.84 MAPK1 (0.41) TK1MAPK1HPGDTK2ALDH1A1
SCHEMBL22946557 0.83 SQOR (0.42) ALDH1A1LMNAPOLB
SCHEMBL22946803 0.83 TK1 (0.47) TK1MAPK1HPGDTK2ALDH1A1
SCHEMBL22946795 0.82 TK1 (0.49) TK1MAPK1HPGDTK2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696711-B2 Asymmetric auxiliary group WAVE LIFE SCIENCES LTD. (SG) 2020-06-30 — — US disclosed
US-20190177357-A1 ASYMMETRIC AUXILIARY GROUP WAVE LIFE SCIENCES JAPAN (JP) 2019-06-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190177357-A1 ASYMMETRIC AUXILIARY GROUP NIT2, IDH1, HBG2 TK1 1751/4885MAPK1 1348/4885HPGD 856/4885
US-10696711-B2 Asymmetric auxiliary group NIT2, IDH1, HBG2 TK1 1751/4885MAPK1 1348/4885HPGD 856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback